1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine

C15H28N2O3Si — CID 140645888

IUPAC1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
SMILESCO[Si](CCCN)(OC)OCC(C)NCc1ccccc1
InChIInChI=1S/C15H28N2O3Si/c1-14(17-12-15-8-5-4-6-9-15)13-20-21(18-2,19-3)11-7-10-16/h4-6,8-9,14,17H,7,10-13,16H2,1-3H3
InChIKeyYRQDSIAAMHXALC-UHFFFAOYSA-N
MW312.49 g/mol
LogP1.76
Rot. Bonds11

About 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine

1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine (PubChem CID 140645888) has the molecular formula C15H28N2O3Si and a molecular weight of 312.49 g/mol. Its IUPAC name is 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine.

Molecular Properties

Compound Name1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
PubChem CID140645888
Molecular FormulaC15H28N2O3Si
Molecular Weight312.49 g/mol
Exact Mass312.19
IUPAC Name1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
SMILESCO[Si](CCCN)(OC)OCC(C)NCc1ccccc1
InChIInChI=1S/C15H28N2O3Si/c1-14(17-12-15-8-5-4-6-9-15)13-20-21(18-2,19-3)11-7-10-16/h4-6,8-9,14,17H,7,10-13,16H2,1-3H3
InChIKeyYRQDSIAAMHXALC-UHFFFAOYSA-N
XLogP1.76
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine
CID 67882549
3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
CID 68631769
methanol;toluene;3-trimethoxysilylpropan-1-amine
CID 174567080
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
dimethyl 2-(benzylamino)propanedioate
CID 562185
methyl 3-(benzylamino)butanoate
CID 13416927
2-[2-(benzylamino)propoxy]acetyl chloride
CID 87186866
N-benzyl-5-methylhexan-2-amine
CID 43177530
trimethoxy(12-phenyldodecyl)silane
CID 54325157
4-[(1-methoxypropan-2-ylamino)methyl]aniline
CID 82670046
4-(benzylamino)pentan-1-ol
CID 75356500

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine?
The IUPAC name of 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine (CID 140645888) is 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine.
What is the SMILES notation for 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine?
The canonical SMILES for 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine is CO[Si](CCCN)(OC)OCC(C)NCc1ccccc1.
What is the InChIKey of 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine?
The InChIKey is YRQDSIAAMHXALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3Si/c1-14(17-12-15-8-5-4-6-9-15)13-20-21(18-2,19-3)11-7-10-16/h4-6,8-9,14,17H,7,10-13,16H2,1-3H3.
What are the key properties of 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine?
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine has a molecular weight of 312.49 g/mol, XLogP of 1.76, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine is sourced from PubChem (CID 140645888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).